N'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine

C16H22N4O — CID 107367593

IUPACN'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)Cc1nc(C2CC2)no1
InChIInChI=1S/C16H22N4O/c17-9-4-10-20(11-13-5-2-1-3-6-13)12-15-18-16(19-21-15)14-7-8-14/h1-3,5-6,14H,4,7-12,17H2
InChIKeyODCSCNNFQTUSCJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.30
Rot. Bonds8

About N'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine

N'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine (PubChem CID 107367593) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
PubChem CID107367593
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine
SMILESNCCCN(Cc1ccccc1)Cc1nc(C2CC2)no1
InChIInChI=1S/C16H22N4O/c17-9-4-10-20(11-13-5-2-1-3-6-13)12-15-18-16(19-21-15)14-7-8-14/h1-3,5-6,14H,4,7-12,17H2
InChIKeyODCSCNNFQTUSCJ-UHFFFAOYSA-N
XLogP2.30
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine (CID 107367593) is N'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine is NCCCN(Cc1ccccc1)Cc1nc(C2CC2)no1.
What is the InChIKey of N'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine?
The InChIKey is ODCSCNNFQTUSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-9-4-10-20(11-13-5-2-1-3-6-13)12-15-18-16(19-21-15)14-7-8-14/h1-3,5-6,14H,4,7-12,17H2.
What are the key properties of N'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine?
N'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 107367593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).